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Register a new userPFG NMR time-dependent diffusion coefficient analysis of confined emulsion: post drainage phase conformation
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In this work, we present a characterization of phase configuration in water-saturated sintered glass bead samples after oil injection, through the analysis of time-dependent diffusion coefficients obtained from sets of one-dimensional pulsed field gradient nuclear magnetic resonance (PFG NMR) measurements, pre and post drainage. Estimates of samples surface-to-volume ratio and permeability from pre drainage PFG measurements in a water-saturated sample were compared with analytical and reported values, respectively, and a fair agreement was found in both cases. Short-time analysis of diffusion coefficients extracted from PFG measurements was used to quantify the increase in surface-to-volume ratio probed by the wetting phase after drainage. Analysis of water and oil diffusion coefficients from post drainage PFG experiments were carried out using a bi-Gaussian model, and two distinct scenarios were considered to describe fluids conformation within pores. For the case where non-wetting phase was considered to exhibit a poorly connected geometry, an analysis assuming the formation of oi-in-water droplets within pores was performed, and a Gaussian distribution of droplets radii was determined.
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A multi-scale scheme for the invasion percolation of rock fracture networks with heterogeneous fracture aperture fields is proposed. Inside fractures, fluid transport is calculated on the finest scale and found to be localized in channels as a consequence of the aperture field. The channel network is characterized and reduced to a vectorized artificial channel network (ACN). Different realizations of ACNs are used to systematically calculate efficient apertures for fluid transport inside differently sized fractures as well as fracture intersection and entry properties. Typical situations in fracture networks are parameterized by fracture inclination, flow path length along the fracture and intersection lengths in the entrance and outlet zones of fractures. Using these scaling relations obtained from the finer scales, we simulate the invasion process of immiscible fluids into saturated discrete fracture networks, which were studied in previous works.
We present a comprehensive study of the phase transitions in the single-field reaction-diffusion stochastic systems with field-dependent mobility of a power-low form and the internal fluctuations. Using variational principles and mean-field theory it was shown that the noise can sustain spatial patterns and leads to disordering phase transitions. We have shown that the phase transitions can be of critical or non-critical character.
The performance of solution-processed solar cells strongly depends on the geometrical structure and roughness of the photovoltaic layers formed during film drying. During the drying process, the interplay of crystallization and liquid-liquid demixing leads to the structure formation on the nano- and microscale and to the final rough film. In order to better understand how the film structure can be improved by process engineering, we aim at theoretically investigating these systems by means of phase-field simulations. We introduce an evaporation model based on the Cahn-Hilliard equation for the evolution of the fluid concentrations coupled to the Allen-Cahn equation for the liquid-vapour phase transformation. We demonstrate its ability to match the experimentally measured drying kinetics and study the impact of the parameters of our model. Furthermore, the evaporation of solvent blends and solvent-vapour annealing are investigated. The dry film roughness emerges naturally from our set of equations, as illustrated through preliminary simulations of spinodal decomposition and film drying on structured substrates.
In this work, a complete error analysis is presented for fully discrete solutions of the subdiffusion equation with a time-dependent diffusion coefficient, obtained by the Galerkin finite element method with conforming piecewise linear finite elements in space and backward Euler convolution quadrature in time. The regularity of the solutions of the subdiffusion model is proved for both nonsmooth initial data and incompatible source term. Optimal-order convergence of the numerical solutions is established using the proven solution regularity and a novel perturbation argument via freezing the diffusion coefficient at a fixed time. The analysis is supported by numerical experiments.
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR relaxation times $T_{1,2}$ in the fast motion regime where $T_1 = T_2$ agree with measured (de-oxygenated) $T_2$ data at ambient conditions, without any adjustable parameters in the interpretation of the simulation data. Likewise, the translational diffusion $D_T$ coefficients calculated using simulation configurations are well-correlated with measured diffusion data at ambient conditions. The agreement between the predicted and experimentally measured NMR relaxation times and diffusion coefficient also validate the forcefields used in the simulation. The molecular simulations naturally separate intramolecular from intermolecular dipole-dipole interactions helping bring new insight into the two NMR relaxation mechanisms as a function of molecular chain-length (i.e. carbon number). Comparison of the MD simulation results of the two relaxation mechanisms with traditional hard-sphere models used in interpreting NMR data reveals important limitations in the latter. With increasing chain length, there is substantial deviation in the molecular size inferred on the basis of the radius of gyration from simulation and the fitted hard-sphere radii required to rationalize the relaxation times. This deviation is characteristic of the local nature of the NMR measurement, one that is well-captured by molecular simulations.
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